Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
8.6018 1.9917 0.4237 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4507 1.8431 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2532 2.5733 0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0478 2.4867 -0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5989 1.0742 -1.0937 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2221 0.3196 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8055 -1.0848 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6271 -1.0932 -1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2827 -2.5172 -1.5548 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9162 -3.3203 -0.3569 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7441 -2.7046 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4314 -2.6623 -0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5772 -2.0281 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7620 -1.9679 -0.6952 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9448 -1.3703 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6250 0.0186 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7821 0.6623 1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9357 0.7787 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9264 0.4787 -0.9361 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1569 1.2752 0.8389 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.3540 1.4237 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4505 1.9544 0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.0119 3.0978 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6027 3.0221 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5855 1.8854 -0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5915 1.2327 1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7257 2.3750 -1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2612 0.7820 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5496 3.6432 0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0667 2.2536 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3385 2.9216 -1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2584 3.1216 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6670 1.1793 -1.7247 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3331 0.5325 -1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0351 0.2029 0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3392 0.7509 0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6781 -1.5722 -0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5954 -1.7051 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8936 -0.6076 -2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7665 -0.5488 -0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1746 -3.0188 -2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4893 -2.5814 -2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5758 -4.3346 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7588 -3.4681 0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9759 -1.6868 0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4352 -3.3529 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2404 -2.0057 -1.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7377 -3.6785 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8020 -2.6547 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1804 -1.0776 0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5053 -1.3651 -1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9850 -3.0188 -1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8595 -1.4654 -0.5947 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0891 -2.0428 0.9385 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3994 0.6037 -0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6915 0.0691 1.0632 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1169 0.0479 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4651 1.6894 1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1836 1.5302 1.8466 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6842 0.4471 -0.4003 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0871 2.1194 -0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7687 1.3910 1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6846 3.6575 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8089 3.4973 1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers